sodium; methanal; 3-methylphenol; 4-methylphenolate; 6-oxidanylnaphthalene-2-sulfonic acid

Systemtic Name: sodium; methanal; 3-methylphenol; 4-methylphenolate; 6-oxidanylnaphthalene-2-sulfonic acid Openeye Name: sodium; formaldehyde; 6-hydroxynaphthalene-2-sulfonic acid; m-cresol; 4-methylphenolate CAS Name: sodium; formaldehyde; 6-hydroxy-2-naphthalenesulfonic acid; 3-methylphenol; 4-methylphenolate IUPAC Name: sodium; formaldehyde; 6-hydroxynaphthalene-2-sulfonic acid; 3-methylphenol; 4-methylphenolate Traditional Name: sodium; formaldehyde; 6-hydroxynaphthalene-2-sulfonic acid; m-cresol; 4-methylphenolate Formula: C25H25NaO7S MolecularWeight: 492.51657

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[O-].CC1=CC(=CC=C1)O.C=O.C1=CC2=C(C=CC(=C2)S(=O)(=O)O)C=C1O.[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)[O-].CC1=CC(=CC=C1)O.C=O.C1=CC2=C(C=CC(=C2)S(=O)(=O)O)C=C1O.[Na+]

InChI

InChI=1S/C10H8O4S.2C7H8O.CH2O.Na/c11-9-3-1-8-6-10(15(12,13)14)4-2-7(8)5-9;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-2;/h1-6,11H,(H,12,13,14);2*2-5,8H,1H3;1H2;/q;;;;+1/p-1